1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine

C13H21BrN2O — CID 116721000

IUPAC1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine
SMILESCCOC(C(C)C)C(N)Cc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2O/c1-4-17-13(9(2)3)12(15)6-10-5-11(14)8-16-7-10/h5,7-9,12-13H,4,6,15H2,1-3H3
InChIKeyAVIDUWCSJJFGKB-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.78
Rot. Bonds6

About 1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine

1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine (PubChem CID 116721000) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine
PubChem CID116721000
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine
SMILESCCOC(C(C)C)C(N)Cc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2O/c1-4-17-13(9(2)3)12(15)6-10-5-11(14)8-16-7-10/h5,7-9,12-13H,4,6,15H2,1-3H3
InChIKeyAVIDUWCSJJFGKB-UHFFFAOYSA-N
XLogP2.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine
CID 116715292
1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725685
3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine
CID 104809934
1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312277
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol
CID 104813158
5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
1-(5-bromo-3-pyridinyl)octan-2-amine
CID 105036807
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
CID 105200907
2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105036656

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine (CID 116721000) is 1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine is CCOC(C(C)C)C(N)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine?
The InChIKey is AVIDUWCSJJFGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-4-17-13(9(2)3)12(15)6-10-5-11(14)8-16-7-10/h5,7-9,12-13H,4,6,15H2,1-3H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine?
1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine has a molecular weight of 301.23 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine is sourced from PubChem (CID 116721000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).